2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole

C24H23NS — CID 89352809

IUPAC2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole
SMILESCC1=CC=C(C2=CC3=CC=C(c4nc5ccccc5s4)CC3CC2)CC1
InChIInChI=1S/C24H23NS/c1-16-6-8-17(9-7-16)18-10-11-20-15-21(13-12-19(20)14-18)24-25-22-4-2-3-5-23(22)26-24/h2-6,8,12-14,20H,7,9-11,15H2,1H3
InChIKeyLGBVNMMDTXQNHH-UHFFFAOYSA-N
MW357.52 g/mol
LogP7.01
Rot. Bonds2

About 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole

2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole (PubChem CID 89352809) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole
PubChem CID89352809
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole
SMILESCC1=CC=C(C2=CC3=CC=C(c4nc5ccccc5s4)CC3CC2)CC1
InChIInChI=1S/C24H23NS/c1-16-6-8-17(9-7-16)18-10-11-20-15-21(13-12-19(20)14-18)24-25-22-4-2-3-5-23(22)26-24/h2-6,8,12-14,20H,7,9-11,15H2,1H3
InChIKeyLGBVNMMDTXQNHH-UHFFFAOYSA-N
XLogP7.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole (CID 89352809) is 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole is CC1=CC=C(C2=CC3=CC=C(c4nc5ccccc5s4)CC3CC2)CC1.
What is the InChIKey of 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole?
The InChIKey is LGBVNMMDTXQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-16-6-8-17(9-7-16)18-10-11-20-15-21(13-12-19(20)14-18)24-25-22-4-2-3-5-23(22)26-24/h2-6,8,12-14,20H,7,9-11,15H2,1H3.
What are the key properties of 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole?
2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole has a molecular weight of 357.52 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylcyclohexa-1,3-dien-1-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 89352809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).